2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide

C16H24N2O5S — CID 10618255

IUPAC2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18(12-16(19)17-20)11-13-5-3-2-4-6-13/h7-10,13,20H,2-6,11-12H2,1H3,(H,17,19)
InChIKeyACNMHGIRAHNELL-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.77
Rot. Bonds7

About 2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide

2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 10618255) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID10618255
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)CC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18(12-16(19)17-20)11-13-5-3-2-4-6-13/h7-10,13,20H,2-6,11-12H2,1H3,(H,17,19)
InChIKeyACNMHGIRAHNELL-UHFFFAOYSA-N
XLogP1.77
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide (CID 10618255) is 2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide is COc1ccc(S(=O)(=O)N(CC(=O)NO)CC2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is ACNMHGIRAHNELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18(12-16(19)17-20)11-13-5-3-2-4-6-13/h7-10,13,20H,2-6,11-12H2,1H3,(H,17,19).
What are the key properties of 2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide?
2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 356.44 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 10618255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).